3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane

C15H24O2 — CID 87499761

IUPAC3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane
SMILESCC1CCCCC1CC1CC23OC2(CC1C)O3
InChIInChI=1S/C15H24O2/c1-10-5-3-4-6-12(10)7-13-9-15-14(16-15,17-15)8-11(13)2/h10-13H,3-9H2,1-2H3
InChIKeyWGSSLQMYZCEPFE-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.70
Rot. Bonds2

About 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane

3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane (PubChem CID 87499761) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane.

Molecular Properties

Compound Name3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane
PubChem CID87499761
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane
SMILESCC1CCCCC1CC1CC23OC2(CC1C)O3
InChIInChI=1S/C15H24O2/c1-10-5-3-4-6-12(10)7-13-9-15-14(16-15,17-15)8-11(13)2/h10-13H,3-9H2,1-2H3
InChIKeyWGSSLQMYZCEPFE-UHFFFAOYSA-N
XLogP3.70
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane?
The IUPAC name of 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane (CID 87499761) is 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane.
What is the SMILES notation for 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane?
The canonical SMILES for 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane is CC1CCCCC1CC1CC23OC2(CC1C)O3.
What is the InChIKey of 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane?
The InChIKey is WGSSLQMYZCEPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-5-3-4-6-12(10)7-13-9-15-14(16-15,17-15)8-11(13)2/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane?
3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane has a molecular weight of 236.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylcyclohexyl)methyl]-7,8-dioxatricyclo[4.1.1.01,6]octane is sourced from PubChem (CID 87499761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).